Products for Research Use Only

BM212

CAT: 0013-GTR19163165-03Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19163165-03Size:1 g
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Description
A novel antitubercular agent that possesses strong inhibitory activity against both Mycobacterium tuberculosis (MIC=0.7-1.5 ug/ml) and some nontuberculosis mycobacteria, inhibits transport activity of MmpL3; also has marked activity against several species of yeasts, including Candida albicans and Cryptococcus neoformans, is also highly efficacious against mycobacteria which show resistance to the most common traditional drugs.
CAS Number
146204-42-4
Product Name Alternative
BM-212 | BM 212
Purity
>98% (HPLC)
Solubility
10 mM in DMSO
Smiles
CN1CCN (CC2=C (C) N (C3=CC=C (Cl) C=C3) C (C4=CC=C (Cl) C=C4) =C2) CC1
Molecular Formula
C23H25Cl2N3
Molecular Weight
414.3707
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
Piperazine, 1-[[1,5-bis (4-chlorophenyl) -2-methyl-1H-pyrrol-3-yl]methyl]-4-methyl-

Chemical Information

BM-212

anti-mycobacterial agent; structure in first source

CAS Number146204-42-4
PubChem CID456926
IUPAC Name1-[[1,5-bis(4-chlorophenyl)-2-methylpyrrol-3-yl]methyl]-4-methylpiperazine
Molecular FormulaC23H25Cl2N3
Molecular Weight414.4
XLogP5.3
Topological Polar Surface Area11.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity480
SMILES
CC1=C(C=C(N1C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)CN4CCN(CC4)C
InChI
InChI=1S/C23H25Cl2N3/c1-17-19(16-27-13-11-26(2)12-14-27)15-23(18-3-5-20(24)6-4-18)28(17)22-9-7-21(25)8-10-22/h3-10,15H,11-14,16H2,1-2H3
InChIKey
YWZIODCWLMCMMW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of BM-212
CAS: 146204-42-4
CID: 456926
Formula: C23H25Cl2N3
MW: 414.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight414.4
XLogP35.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass413.1425532
Monoisotopic Mass413.1425532
Topological Polar Surface Area11.4 Ų
Heavy Atom Count28
Formal Charge0
Complexity480
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes